SCHEMBL15028675

SCHEMBL15028675

COc1ccc2c(c1)CCCC(c1ccc(OC)c(F)c1)=C2CCCCCO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.44
ESR1 P03372 8/20 0.44
PTGS1 P23219 1/20 0.43
MAPK14 Q16539 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DHODH Q02127 1/20 0.36
HSD17B1 P14061 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP2 O95551 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15028571 0.92 ESR1 (0.44) PTGS2ESR1PTGS1NR1H2NR1H3
SCHEMBL15028674 0.92 ESR1 (0.44) PTGS2ESR1PTGS1NR1H2NR1H3
SCHEMBL9995705 0.92 ESR1 (0.43) PTGS2ESR1PTGS1MAPTALDH1A1
SCHEMBL12074174 0.91 ESR1 (0.43) PTGS2ESR1PTGS1MAPTALDH1A1
SCHEMBL15263129 0.88 ESR1 (0.47) PTGS2ESR1PTGS1MAPTALDH1A1
SCHEMBL12072305 0.88 ESR1 (0.47) PTGS2ESR1PTGS1MAPTALDH1A1
SCHEMBL15028586 0.88 ESR1 (0.50) PTGS2ESR1PTGS1ALDH1A1CYP11B2
SCHEMBL15028666 0.88 ESR1 (0.50) PTGS2ESR1PTGS1ALDH1A1CYP11B2
SCHEMBL9995795 0.86 ESR1 (0.42) ESR1MAPK14MAPTALDH1A1KMT2A
SCHEMBL15263250 0.85 ESR1 (0.44) ESR1PTGS1MAPK14MAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 US disclosed
US-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 US disclosed
US-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 US disclosed
WO-2013083568-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SAID 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, AND USE THEREOF TO PRODUCE DRUGS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments CYP19A1, SHBG, ESR2 PTGS2 1254/4885ESR1 4/4885PTGS1 449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.